prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate

C9H13NO4 — CID 22956495

IUPACprop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate
SMILESC=CCOC(=O)NC1CC(=O)OC1C
InChIInChI=1S/C9H13NO4/c1-3-4-13-9(12)10-7-5-8(11)14-6(7)2/h3,6-7H,1,4-5H2,2H3,(H,10,12)
InChIKeyIDYOQLZNBGAZDM-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.60
Rot. Bonds3

About prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate

prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate (PubChem CID 22956495) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate
PubChem CID22956495
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameprop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate
SMILESC=CCOC(=O)NC1CC(=O)OC1C
InChIInChI=1S/C9H13NO4/c1-3-4-13-9(12)10-7-5-8(11)14-6(7)2/h3,6-7H,1,4-5H2,2H3,(H,10,12)
InChIKeyIDYOQLZNBGAZDM-UHFFFAOYSA-N
XLogP0.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl N-(5-ethenyl-2-oxooxolan-3-yl)carbamate
CID 336195
tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate
CID 134966293
tert-butyl N-[(2S,3R,4R)-2-ethenyl-5-oxo-4-prop-2-enyloxolan-3-yl]carbamate
CID 162414298
butyl N-(5-ethenyl-2-oxooxolan-3-yl)carbamate
CID 336196
prop-2-enyl N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]carbamate
CID 10857229
prop-2-enyl N-[(3S)-5-oxooxolan-3-yl]carbamate
CID 12140649
(2-Cyclopentyloxy-5-oxo-tetrahydro-furan-3-yl)-carbamic acid allyl ester
CID 18465755
(2-Isopropoxy-5-oxo-tetrahydro-furan-3-yl)-carbamic acid allyl ester
CID 18465855
(2-Ethoxy-5-oxo-tetrahydrofuran-3-yl)-carbamic acid allyl ester
CID 22149038
prop-2-enyl 2-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate
CID 57887435
allyl ((3S)-2-ethoxy-5-oxotetrahydrofuran-3-yl)carbamate
CID 59043898
prop-2-enyl N-[(2S,3S)-5-oxo-2-propan-2-yloxyoxolan-3-yl]carbamate
CID 59121003

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate?
The IUPAC name of prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate (CID 22956495) is prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate is C=CCOC(=O)NC1CC(=O)OC1C.
What is the InChIKey of prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate?
The InChIKey is IDYOQLZNBGAZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-4-13-9(12)10-7-5-8(11)14-6(7)2/h3,6-7H,1,4-5H2,2H3,(H,10,12).
What are the key properties of prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate?
prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate has a molecular weight of 199.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-methyl-5-oxooxolan-3-yl)carbamate is sourced from PubChem (CID 22956495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).